2-amino-N-(2-oxopiperidin-3-yl)benzamide

C12H15N3O2 — CID 577652

IUPAC2-amino-N-(2-oxopiperidin-3-yl)benzamide
SMILESNc1ccccc1C(=O)NC1CCCNC1=O
InChIInChI=1S/C12H15N3O2/c13-9-5-2-1-4-8(9)11(16)15-10-6-3-7-14-12(10)17/h1-2,4-5,10H,3,6-7,13H2,(H,14,17)(H,15,16)
InChIKeyACYVDIMSMJEHRM-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.28
Rot. Bonds2

About 2-amino-N-(2-oxopiperidin-3-yl)benzamide

2-amino-N-(2-oxopiperidin-3-yl)benzamide (PubChem CID 577652) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-amino-N-(2-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-N-(2-oxopiperidin-3-yl)benzamide
PubChem CID577652
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-amino-N-(2-oxopiperidin-3-yl)benzamide
SMILESNc1ccccc1C(=O)NC1CCCNC1=O
InChIInChI=1S/C12H15N3O2/c13-9-5-2-1-4-8(9)11(16)15-10-6-3-7-14-12(10)17/h1-2,4-5,10H,3,6-7,13H2,(H,14,17)(H,15,16)
InChIKeyACYVDIMSMJEHRM-UHFFFAOYSA-N
XLogP0.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-oxopiperidin-3-yl)benzamide?
The IUPAC name of 2-amino-N-(2-oxopiperidin-3-yl)benzamide (CID 577652) is 2-amino-N-(2-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 2-amino-N-(2-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 2-amino-N-(2-oxopiperidin-3-yl)benzamide is Nc1ccccc1C(=O)NC1CCCNC1=O.
What is the InChIKey of 2-amino-N-(2-oxopiperidin-3-yl)benzamide?
The InChIKey is ACYVDIMSMJEHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-9-5-2-1-4-8(9)11(16)15-10-6-3-7-14-12(10)17/h1-2,4-5,10H,3,6-7,13H2,(H,14,17)(H,15,16).
What are the key properties of 2-amino-N-(2-oxopiperidin-3-yl)benzamide?
2-amino-N-(2-oxopiperidin-3-yl)benzamide has a molecular weight of 233.27 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 577652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).